![M6K M6K](https://data.pdbj.org/pdbjplus/data/cc/svg/M6K.svg) | M6K | Name: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid | Formula: | C17 H23 N5 O3 | SMILES: | O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N | InChi: | InChI=1S/C17H23N5O3/c18-17(19)13-3-1-12(2-4-13)15-9-14(25-20-15)10-21-5-7-22(8-6-21)11-16(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m0/s1 | Definition date: | 2022-03-14 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid |
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![7OH 7OH](https://data.pdbj.org/pdbjplus/data/cc/svg/7OH.svg) | 7OH | Name: | Fe-Tetra(4-pyridyl)porphyrin | Formula: | C40 H24 Fe N8 | SMILES: | [Fe]1N2C3=C(c4ccncc4)C5=NC(=C(c6ccncc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccncc9)c%10ccncc%10)C=C5 | InChi: | InChI=1S/C40H24N8.Fe/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25 | Definition date: | 2021-10-08 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 |
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![U1H U1H](https://data.pdbj.org/pdbjplus/data/cc/svg/U1H.svg) | U1H | Name: | [4-(trifluoromethyl)phenyl]methanamine | Formula: | C8 H8 F3 N | SMILES: | NCc1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2 | Synonyms: | 4-(Trifluoromethyl)benzylamine | Definition date: | 2021-01-18 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | [4-(trifluoromethyl)phenyl]methanamine |
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![U4L U4L](https://data.pdbj.org/pdbjplus/data/cc/svg/U4L.svg) | U4L | Name: | (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile | Formula: | C26 H30 N8 O | SMILES: | CCC(=O)N1CC2(CCN(C2)c2nc(nc(c3c(C)ccc4[NH]ncc34)c2C#N)N2CCCC2)C1 | InChi: | InChI=1S/C26H30N8O/c1-3-21(35)34-15-26(16-34)8-11-33(14-26)24-18(12-27)23(29-25(30-24)32-9-4-5-10-32)22-17(2)6-7-20-19(22)13-28-31-20/h6-7,13H,3-5,8-11,14-16H2,1-2H3,(H,28,31) | Definition date: | 2022-08-04 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile |
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![U4U U4U](https://data.pdbj.org/pdbjplus/data/cc/svg/U4U.svg) | U4U | Name: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one | Formula: | C23 H22 Cl F N2 O3 | SMILES: | Oc1cccc(Cl)c1c1c(C#C)cc2CN3CCN(CC3COc2c1F)C(=O)CC | InChi: | InChI=1S/C23H22ClFN2O3/c1-3-14-10-15-11-26-8-9-27(19(29)4-2)12-16(26)13-30-23(15)22(25)20(14)21-17(24)6-5-7-18(21)28/h1,5-7,10,16,28H,4,8-9,11-13H2,2H3/t16-/m1/s1 | Definition date: | 2022-08-04 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one |
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![U50 U50](https://data.pdbj.org/pdbjplus/data/cc/svg/U50.svg) | U50 | Name: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide | Formula: | C23 H29 Cl2 N7 O2 | SMILES: | CCC(=O)N1CC(C1)NC(=O)c1c(Cl)nc(CNc2n[NH]c3cc(Cl)c(cc32)C(C)(C)C)n1C | InChi: | InChI=1S/C23H29Cl2N7O2/c1-6-18(33)32-10-12(11-32)27-22(34)19-20(25)28-17(31(19)5)9-26-21-13-7-14(23(2,3)4)15(24)8-16(13)29-30-21/h7-8,12H,6,9-11H2,1-5H3,(H,27,34)(H2,26,29,30) | Definition date: | 2022-08-04 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide |
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![3Q9 3Q9](https://data.pdbj.org/pdbjplus/data/cc/svg/3Q9.svg) | 3Q9 | Name: | 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | Formula: | C33 H40 N4 O6 | SMILES: | CCC1=C(C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h34-35H,7-15H2,1-6H3,(H,38,39)(H,40,41) | Definition date: | 2014-10-03 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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![TMK TMK](https://data.pdbj.org/pdbjplus/data/cc/svg/TMK.svg) | TMK | Name: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide | Formula: | C21 H21 Cl F4 N6 O5 | SMILES: | Cc1cnc(OC)c(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O | InChi: | InChI=1S/C21H21ClF4N6O5/c1-5-31-13(8-33)30-32(20(31)35)16-12(23)6-11(18(29-16)37-10(3)21(24,25)26)17(34)28-15-9(2)7-27-19(36-4)14(15)22/h6-7,10,33H,5,8H2,1-4H3,(H,27,28,34)/t10-/m0/s1 | Definition date: | 2022-07-27 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide |
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![SKX SKX](https://data.pdbj.org/pdbjplus/data/cc/svg/SKX.svg) | SKX | Name: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide | Formula: | C25 H25 F2 N5 O4 | SMILES: | Fc1ccc(c(F)c1)C(O)(Cn1cncn1)CNC(=O)C1=Cc2ccc(cc2OC1=O)N(CC)CC | InChi: | InChI=1S/C25H25F2N5O4/c1-3-31(4-2)18-7-5-16-9-19(24(34)36-22(16)11-18)23(33)29-12-25(35,13-32-15-28-14-30-32)20-8-6-17(26)10-21(20)27/h5-11,14-15,35H,3-4,12-13H2,1-2H3,(H,29,33)/t25-/m0/s1 | Definition date: | 2022-07-07 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
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![V1Z V1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/V1Z.svg) | V1Z | Name: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine | Formula: | C19 H22 N4 O2 S | SMILES: | Cc1cccn2cc(nc12)c3ccc(C)c(c3)[S](=O)(=O)N4CCNCC4 | InChi: | InChI=1S/C19H22N4O2S/c1-14-5-6-16(17-13-22-9-3-4-15(2)19(22)21-17)12-18(14)26(24,25)23-10-7-20-8-11-23/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3 | Definition date: | 2021-04-06 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine |
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![IR7 IR7](https://data.pdbj.org/pdbjplus/data/cc/svg/IR7.svg) | IR7 | Name: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid | Formula: | C19 H25 N3 O5 | SMILES: | O=C(O)COc1ccc(cc1)C(=O)CN1CCN(CC1=O)C1CCNCC1 | InChi: | InChI=1S/C19H25N3O5/c23-17(14-1-3-16(4-2-14)27-13-19(25)26)11-22-10-9-21(12-18(22)24)15-5-7-20-8-6-15/h1-4,15,20H,5-13H2,(H,25,26) | Definition date: | 2022-01-26 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid |
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![MJX MJX](https://data.pdbj.org/pdbjplus/data/cc/svg/MJX.svg) | MJX | Name: | {4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid | Formula: | C18 H27 N5 O2 | SMILES: | N=C(N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(=O)O)CC1 | InChi: | InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25) | Definition date: | 2022-03-16 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | {4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid |
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![T4L T4L](https://data.pdbj.org/pdbjplus/data/cc/svg/T4L.svg) | T4L | Name: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol | Formula: | C19 H28 N8 O | SMILES: | CC(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3[NH]ncc23)n[NH]1 | InChi: | InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m0/s1 | Definition date: | 2022-07-18 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol |
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![T6L T6L](https://data.pdbj.org/pdbjplus/data/cc/svg/T6L.svg) | T6L | Name: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide | Formula: | C20 H17 Cl F5 N5 O4 | SMILES: | Fc1cccc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O | InChi: | InChI=1S/C20H17ClF5N5O4/c1-3-30-14(8-32)29-31(19(30)34)16-13(23)7-10(18(28-16)35-9(2)20(24,25)26)17(33)27-15-11(21)5-4-6-12(15)22/h4-7,9,32H,3,8H2,1-2H3,(H,27,33)/t9-/m0/s1 | Definition date: | 2022-07-19 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide |
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![T78 T78](https://data.pdbj.org/pdbjplus/data/cc/svg/T78.svg) | T78 | Name: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide | Formula: | C20 H19 Cl F4 N6 O4 | SMILES: | Cc1ccnc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O | InChi: | InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1 | Definition date: | 2022-07-19 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide |
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![PQF PQF](https://data.pdbj.org/pdbjplus/data/cc/svg/PQF.svg) | PQF | Name: | 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Formula: | C30 H32 F N5 O2 | SMILES: | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 | InChi: | InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | Definition date: | 2022-05-29 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
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![NXF NXF](https://data.pdbj.org/pdbjplus/data/cc/svg/NXF.svg) | NXF | Name: | (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile | Formula: | C26 H22 N6 O2 S | SMILES: | NCC1=NNC(=O)c2c1cc(cc2C1CCCO1)c1cnn(C)c1c1sc2ccccc2c1C#N | InChi: | InChI=1S/C26H22N6O2S/c1-32-24(25-18(11-27)15-5-2-3-7-22(15)35-25)19(13-29-32)14-9-16-20(12-28)30-31-26(33)23(16)17(10-14)21-6-4-8-34-21/h2-3,5,7,9-10,13,21H,4,6,8,12,28H2,1H3,(H,31,33)/t21-/m1/s1 | Definition date: | 2022-04-13 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile |
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![YHM YHM](https://data.pdbj.org/pdbjplus/data/cc/svg/YHM.svg) | YHM | Name: | (S)-Tioconazole | Formula: | C16 H13 Cl3 N2 O S | SMILES: | Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl | InChi: | InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m1/s1 | Synonyms: | 1-[(2S)-2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole | Definition date: | 2021-03-09 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 1-[(2S)-2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole |
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![YJV YJV](https://data.pdbj.org/pdbjplus/data/cc/svg/YJV.svg) | YJV | Name: | N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide | Formula: | C15 H13 Cl N4 O2 | SMILES: | Clc1cnccc1NC(=O)Cn1ccc2c1C=CN(C)C2=O | InChi: | InChI=1S/C15H13ClN4O2/c1-19-6-4-13-10(15(19)22)3-7-20(13)9-14(21)18-12-2-5-17-8-11(12)16/h2-8H,9H2,1H3,(H,17,18,21) | Definition date: | 2021-03-11 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
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![I2S I2S](https://data.pdbj.org/pdbjplus/data/cc/svg/I2S.svg) | I2S | Name: | (7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one | Formula: | C24 H20 Cl N3 O3 S | SMILES: | Cc1ccc(cc1)S(=O)(=O)n1cc2CCNC3=CC(=NCc4ccc(Cl)cc4)C(=O)c1c32 | InChi: | InChI=1S/C24H20ClN3O3S/c1-15-2-8-19(9-3-15)32(30,31)28-14-17-10-11-26-20-12-21(24(29)23(28)22(17)20)27-13-16-4-6-18(25)7-5-16/h2-9,12,14,26H,10-11,13H2,1H3/b27-21- | Definition date: | 2022-01-07 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one |
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![I61 I61](https://data.pdbj.org/pdbjplus/data/cc/svg/I61.svg) | I61 | Name: | Inulanolide A | Formula: | C34 H44 O9 | SMILES: | CC(=O)OC1C2C(C)=C3CC4C(=C)C(=O)OC4CC(C)C31CC12C(=O)OC2CC(C)=C(C(O)C21)C(C)CCCOC(C)=O | InChi: | InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30-,33-,34-/m1/s1 | Definition date: | 2022-01-13 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (4R)-4-[(3R,3aR,3'aS,4R,6'S,7aS,8'aR,9'R,10'aR,11'R)-11'-(acetyloxy)-4-hydroxy-5',6,9'-trimethyl-3'-methylidene-2,2'-dioxo-2',3',3a,3'a,4,4',6',7,7a,9',10',10'a-dodecahydro-2H,8'H-spiro[[1]benzofuran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-5-yl]pentyl acetate |
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![OO9 OO9](https://data.pdbj.org/pdbjplus/data/cc/svg/OO9.svg) | OO9 | Name: | oxidanyl dihydrogen phosphate | Formula: | H3 O5 P | SMILES: | OO[P](O)(O)=O | InChi: | InChI=1S/H3O5P/c1-5-6(2,3)4/h1H,(H2,2,3,4) | Definition date: | 2022-05-12 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | oxidanyl dihydrogen phosphate |
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![7XQ 7XQ](https://data.pdbj.org/pdbjplus/data/cc/svg/7XQ.svg) | 7XQ | Name: | (1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol | Formula: | C12 H16 F N5 O3 | SMILES: | Nc1ncnc2n(cnc12)[CH]3[CH](O)[CH](O)[CH](CCO)[CH]3F | InChi: | InChI=1S/C12H16FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-6,8-10,19-21H,1-2H2,(H2,14,15,16)/t5-,6+,8+,9+,10-/m0/s1 | Definition date: | 2022-03-02 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (1~{R},2~{S},3~{S},4~{R},5~{R})-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol |
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![76I 76I](https://data.pdbj.org/pdbjplus/data/cc/svg/76I.svg) | 76I | Name: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid | Formula: | C5 H11 N O4 | SMILES: | CC(C)N(O)[CH](O)C(O)=O | InChi: | InChI=1S/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/t4-/m0/s1 | Synonyms: | 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate | Definition date: | 2021-08-04 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (2~{S})-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid |
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![78I 78I](https://data.pdbj.org/pdbjplus/data/cc/svg/78I.svg) | 78I | Name: | (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid | Formula: | C5 H8 O4 | SMILES: | O[CH](C(O)=O)C1(O)CC1 | InChi: | InChI=1S/C5H8O4/c6-3(4(7)8)5(9)1-2-5/h3,6,9H,1-2H2,(H,7,8)/t3-/m0/s1 | Definition date: | 2021-08-04 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (2~{R})-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid |
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